CID 853664

1,3-dicyclohexyl-1-methylurea

Structural Information

Molecular Formula
C14H26N2O
SMILES
CN(C1CCCCC1)C(=O)NC2CCCCC2
InChI
InChI=1S/C14H26N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKey
CAPAGWIKRVCJSA-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

238.20451 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.21179 158.9
[M+Na]+ 261.19373 157.8
[M-H]- 237.19723 164.3
[M+NH4]+ 256.23833 175.4
[M+K]+ 277.16767 156.9
[M+H-H2O]+ 221.20177 150.7
[M+HCOO]- 283.20271 176.5
[M+CH3COO]- 297.21836 198.2
[M+Na-2H]- 259.17918 159.6
[M]+ 238.20396 149.1
[M]- 238.20506 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe